D226-0040 Screening compound: 3-methyl-7-[(3-methylphenyl)methyl]-8-(piperazin-1-yl)-2,3,6,7-tetrahydro-1H-purine-2,6-dione

D226-0040 Screening compound: 3-methyl-7-[(3-methylphenyl)methyl]-8-(piperazin-1-yl)-2,3,6,7-tetrahydro-1H-purine-2,6-dione
D226-0040 Screening compound: 3-methyl-7-[(3-methylphenyl)methyl]-8-(piperazin-1-yl)-2,3,6,7-tetrahydro-1H-purine-2,6-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound D226-0040
3-methyl-7-[(3-methylphenyl)methyl]-8-(piperazin-1-yl)-2,3,6,7-tetrahydro-1H-purine-2,6-dione

Available from 1 mg

Formats:

  • Glass Vials (4ml Glass Vials VWR #97047-678)
  • 96-tube racks (Matrix #4247 96-well 1.4ml sealed with capmats, empty cols 1 & 12, 100uL of 10mM)

Shiptime: 1 week worldwide delivery in most cases

Compound Identifiers

ChemDiv Compound ID

D226-0040

Molecular Formula

C18H22N6O2 (C18 H22 N6 O2)

Compound Name

3-methyl-7-[(3-methylphenyl)methyl]-8-(piperazin-1-yl)-2,3,6,7-tetrahydro-1H-purine-2,6-dione

IUPAC name

3-methyl-7-[(3-methylphenyl)methyl]-8-(piperazin-1-yl)-2367-tetrahydro-1H-purine-26-dione

SMILES

Cc1cccc(Cn2c(N3CCNCC3)nc(N(C)C(N3)=O)c2C3=O)c1

InChI

InChI=1S/C18H22N6O2/c1-12-4-3-5-13(10-12)11-24-14-15(22(2)18(26)21-16(14)25)20-17(24)23-8-6-19-7-9-23/h3-5,10,19H,6-9,11H2,1-2H3,(H,21,25,26)

InChI Key

NCBQWTNHQFIYCS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01186418

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

354.41

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.063

Distribution Coefficient, logD

-0.407

Water Solubility, LogSw

-2.82

Polar Surface Area

66.572

Acid Dissociation Constant (pKa)

11.85

Base Dissociation Constant (pKb)

9.87

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

38.90

D226-0040 in Drug Discovery

Included in Screening Libraries

Anti-Aging Library (44940 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Metabolic
  • Immune system
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with D226-0040 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D226-0040?
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What is the minimum amount of D226-0040 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D226-0040
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D226-0040
  • 0.5–50 mg of dry powder sample in single glass vials, custom vials
  • DMSO solutions frozen 10μl–250μl@10mM (96 and 384 format)

Custom synthesis of D226-0040 available by request